2-[2-(Dimethylamino)ethenyl]-3-(4-methylbenzoyl)-1-benzofuran-5,6-dicarbonitrile | 1221728-68-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-[2-(Dimethylamino)ethenyl]-3-(4-methylbenzoyl)-1-benzofuran-5,6-dicarbonitrile
• 英文别名: 2-[2-(dimethylamino)ethenyl]-3-(4-methylbenzoyl)-1-benzofuran-5,6-dicarbonitrile
• CAS: 1221728-68-2
• 化学式: C₂₂H₁₇N₃O₂
• mdl: MFCD25975240
• 分子量: 355.396
• InChiKey: PPUNFGRZTBSISE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-[2-(Dimethylamino)ethenyl]-3-(4-methylbenzoyl)-1-benzofuran-5,6-dicarbonitrile 、 N,N-二甲基甲酰胺 在 三氯氧磷 作用下， 以90%的产率得到2-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]-3-(4-methylbenzoyl)benzofuran-5,6-dicarbonitrile
  参考文献：
  名称：

  Synthesis of formyl and carboxy derivatives of heterocycles by modification of 2-(2-aminovinyl)- benzofuran-5,6-dicarbonitriles

  摘要：

  Procedures have been developed for the synthesis of 2-formylbenzofuran-5,6-dicarbonitriles, 5,6-dicyanobenzofuran-2-carboxylic acids, and formyldibenzo[b,d]furan-2,3-dicarbonitriles by modification of 2-(2-aminovinyl)benzofuran-5,6-dicarbonitriles with sodium periodate or Vilsmeier reagent.

  DOI：

  10.1134/s1070428016090074
• 作为产物：
  描述：

  2-methyl-3-(4-methylbenzoyl)benzofuran-5,6-dicarbonitrile 、 N,N-二甲基甲酰胺二甲基缩醛 生成 2-[2-(Dimethylamino)ethenyl]-3-(4-methylbenzoyl)-1-benzofuran-5,6-dicarbonitrile
  参考文献：
  名称：

  Synthesis of formyl and carboxy derivatives of heterocycles by modification of 2-(2-aminovinyl)- benzofuran-5,6-dicarbonitriles

  摘要：

  Procedures have been developed for the synthesis of 2-formylbenzofuran-5,6-dicarbonitriles, 5,6-dicyanobenzofuran-2-carboxylic acids, and formyldibenzo[b,d]furan-2,3-dicarbonitriles by modification of 2-(2-aminovinyl)benzofuran-5,6-dicarbonitriles with sodium periodate or Vilsmeier reagent.

  DOI：

  10.1134/s1070428016090074

文献信息

• Synthesis of 2-oxo- and 2-thioxo-5-(benzofuran-2-yl)tetrahydropyrimidines
  作者：Sergei I. Filimonov、Zhanna V. Chirkova、Igor G. Abramov、Sergey I. Firgang、Galina A. Stashina、Kyrill Yu. Suponitsky

  DOI：10.1016/j.mencom.2011.01.019

  日期：2011.1

  New 5,6-dicyanobenzofurans bearing a 2-(thi)oxotetrahydropyrimidine moiety at the 2-position were synthesized from 2-(2-dimethylaminovinyl)-5,6-dicyanobenzofurans, benzaldehydes and (thio)urea in AcOH.
• Synthesis of formyl and carboxy derivatives of heterocycles by modification of 2-(2-aminovinyl)- benzofuran-5,6-dicarbonitriles
  作者：Zh. V. Chirkova、S. I. Filimonov

  DOI：10.1134/s1070428016090074

  日期：2016.9

  Procedures have been developed for the synthesis of 2-formylbenzofuran-5,6-dicarbonitriles, 5,6-dicyanobenzofuran-2-carboxylic acids, and formyldibenzo[b,d]furan-2,3-dicarbonitriles by modification of 2-(2-aminovinyl)benzofuran-5,6-dicarbonitriles with sodium periodate or Vilsmeier reagent.